Beraprost CAS NO.88430-50-6

the beraprost, with the cas registry number 88430-50-6, is also known as 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-1h-cyclopenta[b]benzofuran-5-butanoic acid. this chemical's molecular formula is c₂₄h₃₀o₅ and molecular weight is 398.49. what's more, its iupac name is 4-[(1r,2r,3as,8bs)-2-hydroxy-1-[(e,3s)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1h-cyclopenta[b][1]benzofuran-5-yl]butanoic acid

and systematic name is called 4-{(1r,2r,3as,8bs)-2-hydroxy-1-[(1e,3s)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1h-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid. this chemical's classification codes are cardiovascular agents; drug / therapeutic agent; hematologic agents; platelet aggregation inhibitor; platelet aggregation inhibitors and vasodilator agents. this chemical can be used as platelet aggregation inhibitor; stable analog of prostacyclin; antithrombotic; vasodilator (peripheral). beraprost is a synthetic analogue of prostacyclin, under clinical trials for the treatment of pulmonary hypertension. it is also being studied for use in avoiding reperfusion injury.

physical properties about beraprost are: (1) acd/logp: 2.87; (2) # of rule of 5 violations: 0; (3) acd/logd (ph 5.5): 2.06; (4) acd/logd (ph 7.4): 0.26; (5) acd/bcf (ph 5.5): 13.78; (6) acd/bcf (ph 7.4): 1; (7) acd/koc (ph 5.5): 133.86; (8) acd/koc (ph 7.4): 2.14; (9) #h bond acceptors: 5; (10) #h bond donors: 3; (11) #freely rotating bonds: 10; (12) polar surface area: 53.99 å²; (13) index of refraction: 1.624; (14) molar refractivity: 112.27 cm³; (15) molar volume: 317.7 cm³; (16) surface tension: 56.9 dyne/cm; (17) density: 1.254 g/cm³; (18) flash point: 193.1 °c; (19) enthalpy of vaporization: 90.22 kj/mol; (20) boiling point: 572.1 °c at 760 mmhg; (21) vapour pressure: 6.32e-14 mmhg at 25 °c.

you can still convert the following datas into molecular structure:
(1) smiles: o=c(o)cccc1c2o[c@h]3c[c@@h](o)[c@h](/c=c/[c@@h](o)c(c)cc#cc)[c@h]3c2ccc1
(2) inchi: inchi=1/c24h30o5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26h,6-7,9,11,14h2,1-2h3,(h,27,28)/b13-12+/t15 ,17-,19+,20+,21-,23-/m0/s1
(3) inchikey: ctpohartnnsrsr-apjzlkagbj

the toxicity data is as follows: